ArticleBioinformatics (Oxford, England)2022
Homologue series detection and management in LC-MS data with homologueDiscoverer.
Article in Bioinformatics (Oxford, England), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Antibiotic Exposure Through Human Milk Influences the Infant Gut Microbiome.bioRxiv : the preprint server for biology · 2026Article
- Pan-Metabolomics Repository Mapping of the Carnitine Landscape.bioRxiv : the preprint server for biology · 2026Article
- Fecal microbial and metabolic signatures in children with very early onset inflammatory bowel disease.NPJ biofilms and microbiomes · 2025Article
- Environmental and maternal imprints on infant gut metabolic development.Cell host & microbe · 2025Article
- Extraction of the polysorbate 20 and 80 fingerprint via generative modeling.International journal of pharmaceutics: X · 2025Article
- Environmental and Maternal Imprints on Infant Gut Metabolic Programming.bioRxiv : the preprint server for biology · 2025Article
- Bridging Ethnobotanical Knowledge and Multi-Omics Approaches for Plant-Derived Natural Product Discovery.Metabolites · 2025Review
- Human Untargeted Metabolomics in High-Throughput Gut Microbiome Research: Ethanol vs Methanol.Analytical chemistry · 2025Article
- Machine learning-enhanced molecular network reveals global exposure to hundreds of unknown PFAS.Science advances · 2024Article
- An algorithm to classify homologous series within compound datasets.Journal of cheminformatics · 2022Article
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Authors and funding
8 authors.
Funding
Abstract
summaryUntargeted metabolomics data analysis is highly labour intensive and can be severely frustrated by both experimental noise and redundant features. Homologous polymer series is a particular case of features that can either represent large numbers of noise features or alternatively represent features of interest with large peak redundancy. Here, we present homologueDiscoverer, an R package that allows for the targeted and untargeted detection of homologue series as well as their evaluation and management using interactive plots and simple local database functionalities. AVAILABILITY AND IMPLEMENTATION: homologueDiscoverer is freely available at GitHub https://github.com/kevinmildau/homologueDiscoverer. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
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Registered trials
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